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Chemical ID: 6419665
Chemical ID:
6419665
Name [?]:
(5-hydroxy-4,6-dimethyl-3-pyridyl)methoxyphosphonic acid
SMILES [?]:
Cc1c(cnc(c1O)C)COP(=O)(O)O
InChi [?]:
InChI=1/C8H12NO5P/c1-5-7(4-14-15(11,12)13)3-9-6(2)8(5)10/h3,10H,4H2,1-2H3,(H2,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,9,4,10,2,6,3,7,5,8,13,14,15,11,12/E:(11,12,13)/rA:15nCCCCNCCOCCOPOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s3;s10;s11;d12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H12NO5P |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.99147 |
Area: | 394.594 |
Solvation: | -3.87339 |
Coulombic: | -72.7982 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 233.158 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | -1.13 |
LogP (Chemaxon): | -3.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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